N-[2-fluoro-4-(1-oxa-2,8-diazaspiro[4.5]dec-3-en-3-yl)phenyl]methanesulfonamide

C14H18FN3O3S — CID 91360834

IUPACN-[2-fluoro-4-(1-oxa-2,8-diazaspiro[4.5]dec-3-en-3-yl)phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc(C2=CC3(CCNCC3)ON2)cc1F
InChIInChI=1S/C14H18FN3O3S/c1-22(19,20)18-12-3-2-10(8-11(12)15)13-9-14(21-17-13)4-6-16-7-5-14/h2-3,8-9,16-18H,4-7H2,1H3
InChIKeyZUMXGKKTKBWCGH-UHFFFAOYSA-N
MW327.38 g/mol
LogP1.20
Rot. Bonds3

About N-[2-fluoro-4-(1-oxa-2,8-diazaspiro[4.5]dec-3-en-3-yl)phenyl]methanesulfonamide

N-[2-fluoro-4-(1-oxa-2,8-diazaspiro[4.5]dec-3-en-3-yl)phenyl]methanesulfonamide (PubChem CID 91360834) has the molecular formula C14H18FN3O3S and a molecular weight of 327.38 g/mol. Its IUPAC name is N-[2-fluoro-4-(1-oxa-2,8-diazaspiro[4.5]dec-3-en-3-yl)phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-fluoro-4-(1-oxa-2,8-diazaspiro[4.5]dec-3-en-3-yl)phenyl]methanesulfonamide
PubChem CID91360834
Molecular FormulaC14H18FN3O3S
Molecular Weight327.38 g/mol
Exact Mass327.11
IUPAC NameN-[2-fluoro-4-(1-oxa-2,8-diazaspiro[4.5]dec-3-en-3-yl)phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc(C2=CC3(CCNCC3)ON2)cc1F
InChIInChI=1S/C14H18FN3O3S/c1-22(19,20)18-12-3-2-10(8-11(12)15)13-9-14(21-17-13)4-6-16-7-5-14/h2-3,8-9,16-18H,4-7H2,1H3
InChIKeyZUMXGKKTKBWCGH-UHFFFAOYSA-N
XLogP1.20
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 51.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-fluoro-4-(1-oxa-2,8-diazaspiro[4.5]dec-3-en-3-yl)phenyl]methanesulfonamide?
The IUPAC name of N-[2-fluoro-4-(1-oxa-2,8-diazaspiro[4.5]dec-3-en-3-yl)phenyl]methanesulfonamide (CID 91360834) is N-[2-fluoro-4-(1-oxa-2,8-diazaspiro[4.5]dec-3-en-3-yl)phenyl]methanesulfonamide.
What is the SMILES notation for N-[2-fluoro-4-(1-oxa-2,8-diazaspiro[4.5]dec-3-en-3-yl)phenyl]methanesulfonamide?
The canonical SMILES for N-[2-fluoro-4-(1-oxa-2,8-diazaspiro[4.5]dec-3-en-3-yl)phenyl]methanesulfonamide is CS(=O)(=O)Nc1ccc(C2=CC3(CCNCC3)ON2)cc1F.
What is the InChIKey of N-[2-fluoro-4-(1-oxa-2,8-diazaspiro[4.5]dec-3-en-3-yl)phenyl]methanesulfonamide?
The InChIKey is ZUMXGKKTKBWCGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN3O3S/c1-22(19,20)18-12-3-2-10(8-11(12)15)13-9-14(21-17-13)4-6-16-7-5-14/h2-3,8-9,16-18H,4-7H2,1H3.
What are the key properties of N-[2-fluoro-4-(1-oxa-2,8-diazaspiro[4.5]dec-3-en-3-yl)phenyl]methanesulfonamide?
N-[2-fluoro-4-(1-oxa-2,8-diazaspiro[4.5]dec-3-en-3-yl)phenyl]methanesulfonamide has a molecular weight of 327.38 g/mol, XLogP of 1.20, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-fluoro-4-(1-oxa-2,8-diazaspiro[4.5]dec-3-en-3-yl)phenyl]methanesulfonamide is sourced from PubChem (CID 91360834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).